5-(3-methoxypyrrolidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid

C14H18N2O4S — CID 103536135

IUPAC5-(3-methoxypyrrolidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
SMILESCOC1CCN(C(=O)N2CCc3sccc3C2C(=O)O)C1
InChIInChI=1S/C14H18N2O4S/c1-20-9-2-5-15(8-9)14(19)16-6-3-11-10(4-7-21-11)12(16)13(17)18/h4,7,9,12H,2-3,5-6,8H2,1H3,(H,17,18)
InChIKeyPHBHSGAHEOWVAZ-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.57
Rot. Bonds2

About 5-(3-methoxypyrrolidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid

5-(3-methoxypyrrolidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid (PubChem CID 103536135) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 5-(3-methoxypyrrolidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-(3-methoxypyrrolidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
PubChem CID103536135
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name5-(3-methoxypyrrolidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
SMILESCOC1CCN(C(=O)N2CCc3sccc3C2C(=O)O)C1
InChIInChI=1S/C14H18N2O4S/c1-20-9-2-5-15(8-9)14(19)16-6-3-11-10(4-7-21-11)12(16)13(17)18/h4,7,9,12H,2-3,5-6,8H2,1H3,(H,17,18)
InChIKeyPHBHSGAHEOWVAZ-UHFFFAOYSA-N
XLogP1.57
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3-methoxypyrrolidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid with MolForge

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Related Compounds

5-(2-methoxy-2-methylpropanoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 103018511
5-[(2R)-pyrrolidine-2-carbonyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 104901093
5-(2-propan-2-yloxyacetyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 112602093
5-(3-methylpiperidine-2-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 107068091
5-[2-(aminomethyl)butanoyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 65228403
methyl 5-(5-oxopyrrolidine-2-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 90565182
5-(3-methylpyridine-2-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 62339629
5-(5-chloropyrazine-2-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 107371494
1-(3-methoxypyrrolidine-1-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106744628
5-hexan-3-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 114079827
5-(2,5-dimethylpyrazole-3-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid
CID 66127754
methyl 5-(4-methoxybenzoyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylate
CID 90565269

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxypyrrolidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The IUPAC name of 5-(3-methoxypyrrolidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid (CID 103536135) is 5-(3-methoxypyrrolidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 5-(3-methoxypyrrolidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The canonical SMILES for 5-(3-methoxypyrrolidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid is COC1CCN(C(=O)N2CCc3sccc3C2C(=O)O)C1.
What is the InChIKey of 5-(3-methoxypyrrolidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
The InChIKey is PHBHSGAHEOWVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-20-9-2-5-15(8-9)14(19)16-6-3-11-10(4-7-21-11)12(16)13(17)18/h4,7,9,12H,2-3,5-6,8H2,1H3,(H,17,18).
What are the key properties of 5-(3-methoxypyrrolidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid?
5-(3-methoxypyrrolidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid has a molecular weight of 310.38 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypyrrolidine-1-carbonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 103536135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).